%mem=120GB
%nproc=24
#p B3LYP/genecp freq=projected scrf=(smd,solvent=Dichloromethane) EmpiricalDispersion=GD3 SCF=XQC

Title Card Required

0 1
29      -0.698401790     -1.011048230     -1.550511960
7        1.415465740     -1.264051310     -2.090024760
7        2.321028450     -0.597877990     -1.320662160
7       -0.211452790      1.110419460     -1.557099680
7        0.912831300      1.454435100     -0.856582140
7       -0.144640890     -0.979604380      0.572725030
7        1.049614300     -0.395045790      0.871765890
5        1.834389450      0.378981010     -0.216339840
6        2.103782780     -1.937041860     -3.003531310
6        3.489147620     -1.732926740     -2.845413440
6        3.576783450     -0.868171140     -1.756894920
6       -0.715576170      2.238626230     -2.049778430
6        0.061062380      3.350732570     -1.671237090
6        1.088621970      2.798295950     -0.913398080
6       -0.579900240     -1.562827480      1.684896530
6        0.332801670     -1.373322840      2.742707660
6        1.356356510     -0.618790440      2.172840710
1        2.770452950      0.905815380      0.276565940
7       -1.931045420     -2.470633800     -2.071377000
16      -3.496671360     -2.141387370     -2.688721520
8       -4.144596400     -3.389571620     -3.131803050
8       -3.330520550     -1.028684920     -3.632034510
6       -4.312167630     -1.556941120     -1.216088730
6       -5.192864040     -2.397927730     -0.535226020
6       -3.997391900     -0.284738870     -0.728633870
6       -5.772323030     -1.944183650      0.650188460
1       -5.427066230     -3.380417660     -0.930826160
6       -4.583556050      0.148310590      0.455288640
1       -3.305390580      0.349930600     -1.269005920
6       -5.475487900     -0.672898080      1.164837780
1       -6.471848790     -2.585543520      1.179035950
1       -4.345096430      1.137216140      0.837233280
6       -6.069914730     -0.204820570      2.467477200
1       -5.349314840     -0.336824900      3.284917300
1       -6.323588960      0.859433850      2.429703850
1       -6.970918750     -0.768442650      2.725670330
6        0.509261370     -4.177850630     -0.314223680
6        1.851000320     -4.322785110     -0.715039790
1        2.045208920     -4.526859810     -1.763457630
6       -0.541853290     -4.115121900     -1.144592020
6       -1.665212520     -3.776672880     -1.800019490
35      -2.217442890     -2.495604400      1.709321900
35      -2.256297800      2.230297170     -3.135743050
35       1.222811980     -3.004571930     -4.284354580
35       4.896475130     -2.458226130     -3.865980010
35       5.134174730     -0.165438220     -0.968153250
35       2.918859280      0.018939640      3.006429690
35       0.212434080     -2.004004850      4.514016100
35      -0.219811790      5.165312680     -2.093691700
35       2.509008360      3.712420620     -0.077649880
1        0.294159070     -4.060964300      0.749318200
1       -2.373985610     -4.541210160     -2.124738140
6        2.991120720     -4.166414620      0.138128680
6        2.893694700     -3.820005340      1.511182360
6        4.284715800     -4.329451300     -0.420398850
6        4.036875190     -3.659740360      2.281716790
6        5.424414040     -4.166656790      0.357055570
6        5.306583830     -3.833157520      1.712082910
1        1.921234000     -3.667117080      1.965886640
1        4.375125910     -4.584027650     -1.472316020
1        3.944489000     -3.395099550      3.330261050
1        6.405818640     -4.296948370     -0.088752270
1        6.196328680     -3.705708460      2.321596500

-Cu 0
LANL2DZ
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B O S 0
6-31G(d,p)
****

Cu Br 0
LANL2DZ



